UCSF

ZINC31992846

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 3.29 -7 2 4 0 63 212.293 5
Mid Mid (pH 6-8) 0.70 3.6 -55.64 3 4 1 65 213.301 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )